BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 494.4
BDBM50095598
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lanosterol synthase


(Homo sapiens (Human))
BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 37n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against human OSC enzyme


J Med Chem 43: 4964-72 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GX6
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)


BindingDB Entry DOI: 10.7270/Q27080Q7
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against rat OSC enzyme


J Med Chem 43: 4964-72 (2001)


BindingDB Entry DOI: 10.7270/Q2WW7GX6
More data for this
Ligand-Target Pair